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Title: | Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au-20 over Its Tetrahedral Conformer: A Systematic DFT Study |
Authors: | Yamijala, Sharma S. R. K. C. Bandyopadhyay, Arkamita Pati, Swapan Kumar |
Keywords: | Physical Chemistry Nanoscience & Nanotechnology Materials Science Space Gaussian Pseudopotentials Boron-Nitride Density Nanoparticles Oxidation Clusters Mgo Au |
Issue Date: | 2014 |
Publisher: | American Chemical Society |
Citation: | Yamijala, SSRKC; Bandyopadhyay, A; Pati, SK, Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au-20 over Its Tetrahedral Conformer: A Systematic DFT Study. Journal of Physical Chemistry C 2014, 118 (31) 17890-17894, http://dx.doi.org/10.1021/jp506623b Journal of Physical Chemistry C 118 31 |
Abstract: | Utilizing the strengths of nitrogen-doped graphene quantum dot (N-GQD) as a substrate, herein, we have shown that one can stabilize the catalytically more active planar Au-20 (P-Au-20) compared with the thermodynamically more stable tetrahedral structure (T-Au-20) on an N-GQD. Clearly, this simple route avoids the usage of traditional transition-metal oxide substrates, which have been suggested and used for stabilizing the planar structure for a long time. Considering the experimental success in the synthesis of N-GQDs and in the stabilization of Au nanopartides on N-doped graphene, we expect our proposed method to stabilize planar structure will be realized experimentally and will be useful for industrial level applications. |
Description: | Restricted Access |
URI: | https://libjncir.jncasr.ac.in/xmlui/10572/2548 |
ISSN: | 1932-7447 |
Appears in Collections: | Research Articles (Swapan Kumar Pati) |
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